Sugi Predict

Sugi Predict / Compounds / SCHEMBL29214366

SCHEMBL29214366

SCHEMBL29214366

CC(C)S(=O)(=O)c1ccccc1Nc1nc(NC2CCN(C(=O)OC(C)(C)C)CC2)ncc1Cl

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 7/20 0.68
▸ CDK7 P50613 6/20 0.68
▸ PTK2 Q05397 6/20 0.58
▸ ZAP70 P43403 1/20 0.57
▸ ALK Q9UM73 6/20 0.56
▸ CCNK O75909 1/20 0.56
▸ CCNA2 P20248 1/20 0.56
▸ CDK2 P24941 1/20 0.56
▸ CCND3 P30281 1/20 0.56
▸ CDK6 Q00534 1/20 0.56
▸ ROS1 P08922 1/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30978800 1.00 CDK9 (0.68) CDK9CDK7PTK2ZAP70ALK
SCHEMBL25329276 0.95 CDK9 (0.63) CDK9CDK7PTK2ZAP70ALK
SCHEMBL25329282 0.95 CDK9 (0.63) CDK9CDK7PTK2ZAP70ALK
SCHEMBL25327808 0.91 PTK2 (0.56) CDK9CDK7PTK2ZAP70ALK
SCHEMBL25327813 0.91 PTK2 (0.56) CDK9CDK7PTK2ZAP70ALK
SCHEMBL29040469 0.91 CDK7 (0.62) CDK9CDK7PTK2ZAP70ALK
SCHEMBL23181216 0.91 CDK7 (0.62) CDK9CDK7PTK2ZAP70ALK
SCHEMBL25329554 0.90 PTK2 (0.57) CDK9CDK7PTK2ZAP70ALK
SCHEMBL25328917 0.90 PTK2 (0.57) CDK9CDK7PTK2ALKCCNK
SCHEMBL25329544 0.90 PTK2 (0.57) CDK9CDK7PTK2ZAP70ALK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118063393-A 2, 4-Diaminopyrimidine derivative and preparation method and application thereof 中国科学院上海药物研究所 2024-05-24 — — CN disclosed